ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate

C11H13F2NO4 — CID 134677856

IUPACethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cc(OC)c(OC)nc1C(F)F
InChIInChI=1S/C11H13F2NO4/c1-4-18-11(15)6-5-7(16-2)10(17-3)14-8(6)9(12)13/h5,9H,4H2,1-3H3
InChIKeyJATNFNCHAZVWGP-UHFFFAOYSA-N
MW261.22 g/mol
LogP2.21
Rot. Bonds5

About ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate

ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate (PubChem CID 134677856) has the molecular formula C11H13F2NO4 and a molecular weight of 261.22 g/mol. Its IUPAC name is ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
PubChem CID134677856
Molecular FormulaC11H13F2NO4
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC Nameethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cc(OC)c(OC)nc1C(F)F
InChIInChI=1S/C11H13F2NO4/c1-4-18-11(15)6-5-7(16-2)10(17-3)14-8(6)9(12)13/h5,9H,4H2,1-3H3
InChIKeyJATNFNCHAZVWGP-UHFFFAOYSA-N
XLogP2.21
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134683234
ethyl 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carboxylate
CID 133101859
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643
ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134661763
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate
CID 133105613
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769
ethyl 5-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylate
CID 133102129
2-(difluoromethyl)-5,6-dimethoxy-3-methylpyridine
CID 130100894
ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate
CID 133102155
methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134674426
ethyl 2-bromo-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 134684348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate?
The IUPAC name of ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate (CID 134677856) is ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate is CCOC(=O)c1cc(OC)c(OC)nc1C(F)F.
What is the InChIKey of ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate?
The InChIKey is JATNFNCHAZVWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4/c1-4-18-11(15)6-5-7(16-2)10(17-3)14-8(6)9(12)13/h5,9H,4H2,1-3H3.
What are the key properties of ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate?
ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate has a molecular weight of 261.22 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate is sourced from PubChem (CID 134677856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).